O1-carbamimidoyl O4-[1-ethanoyl-2-(naphthalen-2-ylsulfonylamino)piperidin-3-yl] 2-methyl-2-(methylcarbamoyl)-3-piperidin-3-yl-butanedioate

Systemtic Name: O1-carbamimidoyl O4-[1-ethanoyl-2-(naphthalen-2-ylsulfonylamino)piperidin-3-yl] 2-methyl-2-(methylcarbamoyl)-3-piperidin-3-yl-butanedioate Openeye Name: O4-[1-acetyl-2-(2-naphthylsulfonylamino)-3-piperidyl] O1-carbamimidoyl 2-methyl-2-(methylcarbamoyl)-3-(3-piperidyl)butanedioate CAS Name: 2-methyl-2-(methylcarbamoyl)-3-(3-piperidinyl)butanedioic acid O4-[1-acetyl-2-(2-naphthalenylsulfonylamino)-3-piperidinyl] ester O1-carbamimidoyl ester IUPAC Name: 4-O-[1-acetyl-2-(naphthalen-2-ylsulfonylamino)piperidin-3-yl] 1-O-carbamimidoyl 2-methyl-2-(methylcarbamoyl)-3-piperidin-3-ylbutanedioate Traditional Name: 2-methyl-2-(methylcarbamoyl)-3-(3-piperidyl)succinic acid O4-[1-acetyl-2-(2-naphthylsulfonylamino)-3-piperidyl] ester O1-amidino ester Formula: C30H40N6O8S MolecularWeight: 644.739

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)OC(=O)C(C4CCCNC4)C(C)(C(=O)NC)C(=O)OC(=N)N

Isomeric SMILES

CC(=O)N1CCCC(C1NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)OC(=O)C(C4CCCNC4)C(C)(C(=O)NC)C(=O)OC(=N)N

InChI

InChI=1S/C30H40N6O8S/c1-18(37)36-15-7-11-23(25(36)35-45(41,42)22-13-12-19-8-4-5-9-20(19)16-22)43-26(38)24(21-10-6-14-34-17-21)30(2,27(39)33-3)28(40)44-29(31)32/h4-5,8-9,12-13,16,21,23-25,34-35H,6-7,10-11,14-15,17H2,1-3H3,(H3,31,32)(H,33,39)