2-carbamimidoyl-N-methyl-3-(naphthalen-2-ylsulfonylamino)-3-piperidin-3-yl-propanamide

Systemtic Name: 2-carbamimidoyl-N-methyl-3-(naphthalen-2-ylsulfonylamino)-3-piperidin-3-yl-propanamide Openeye Name: 2-carbamimidoyl-N-methyl-3-(2-naphthylsulfonylamino)-3-(3-piperidyl)propanamide CAS Name: 2-carbamimidoyl-N-methyl-3-(2-naphthalenylsulfonylamino)-3-(3-piperidinyl)propanamide IUPAC Name: 2-carbamimidoyl-N-methyl-3-(naphthalen-2-ylsulfonylamino)-3-piperidin-3-ylpropanamide Traditional Name: 2-amidino-N-methyl-3-(2-naphthylsulfonylamino)-3-(3-piperidyl)propionamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(C(C1CCCNC1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=N)N

Isomeric SMILES

CNC(=O)C(C(C1CCCNC1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=N)N

InChI

InChI=1S/C20H27N5O3S/c1-23-20(26)17(19(21)22)18(15-7-4-10-24-12-15)25-29(27,28)16-9-8-13-5-2-3-6-14(13)11-16/h2-3,5-6,8-9,11,15,17-18,24-25H,4,7,10,12H2,1H3,(H3,21,22)(H,23,26)