butyl 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate; phenylmethanesulfonic acid

Systemtic Name: butyl 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate; phenylmethanesulfonic acid Openeye Name: butyl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]-4-piperidyl]acetate; phenylmethanesulfonic acid CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-4-piperidinyl]acetic acid butyl ester; phenylmethanesulfonic acid IUPAC Name: butyl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]piperidin-4-yl]acetate; phenylmethanesulfonic acid Traditional Name: 2-[1-[4-(4-amidinophenyl)benzoyl]-4-piperidyl]acetic acid butyl ester; phenylmethanesulfonic acid Formula: C32H39N3O6S MolecularWeight: 593.73356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N.C1=CC=C(C=C1)CS(=O)(=O)O

Isomeric SMILES

CCCCOC(=O)CC1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N.C1=CC=C(C=C1)CS(=O)(=O)O

InChI

InChI=1S/C25H31N3O3.C7H8O3S/c1-2-3-16-31-23(29)17-18-12-14-28(15-13-18)25(30)22-10-6-20(7-11-22)19-4-8-21(9-5-19)24(26)27;8-11(9,10)6-7-4-2-1-3-5-7/h4-11,18H,2-3,12-17H2,1H3,(H3,26,27);1-5H,6H2,(H,8,9,10)