3-(aminomethyl)-N-[[1-[2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-propanoyl]pyrrolidin-2-yl]methyl]benzamide

Systemtic Name: 3-(aminomethyl)-N-[[1-[2-(naphthalen-2-ylsulfonylamino)-3-oxidanyl-propanoyl]pyrrolidin-2-yl]methyl]benzamide Openeye Name: 3-(aminomethyl)-N-[[1-[3-hydroxy-2-(2-naphthylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]benzamide CAS Name: 3-(aminomethyl)-N-[[1-[3-hydroxy-2-(2-naphthalenylsulfonylamino)-1-oxopropyl]-2-pyrrolidinyl]methyl]benzamide IUPAC Name: 3-(aminomethyl)-N-[[1-[3-hydroxy-2-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]benzamide Traditional Name: 3-(aminomethyl)-N-[[1-[3-hydroxy-2-(2-naphthylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]benzamide Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CO)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CNC(=O)C4=CC(=CC=C4)CN

Isomeric SMILES

C1CC(N(C1)C(=O)C(CO)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)CNC(=O)C4=CC(=CC=C4)CN

InChI

InChI=1S/C26H30N4O5S/c27-15-18-5-3-8-21(13-18)25(32)28-16-22-9-4-12-30(22)26(33)24(17-31)29-36(34,35)23-11-10-19-6-1-2-7-20(19)14-23/h1-3,5-8,10-11,13-14,22,24,29,31H,4,9,12,15-17,27H2,(H,28,32)