N-[(4-carbamimidoyl-3-methyl-phenyl)methyl]-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoyl-3-methyl-phenyl)methyl]-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoyl-3-methyl-phenyl)methyl]-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoyl-3-methylphenyl)methyl]-1-[1-oxo-3,3-diphenyl-2-(sulfamoylamino)propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoyl-3-methylphenyl)methyl]-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidino-3-methyl-benzyl)-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C29H34N6O4S MolecularWeight: 562.68306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2CCCN2C(=O)C(C(C3=CC=CC=C3)C4=CC=CC=C4)NS(=O)(=O)N)C(=N)N

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2CCCN2C(=O)C(C(C3=CC=CC=C3)C4=CC=CC=C4)NS(=O)(=O)N)C(=N)N

InChI

InChI=1S/C29H34N6O4S/c1-19-17-20(14-15-23(19)27(30)31)18-33-28(36)24-13-8-16-35(24)29(37)26(34-40(32,38)39)25(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,14-15,17,24-26,34H,8,13,16,18H2,1H3,(H3,30,31)(H,33,36)(H2,32,38,39)