N-(3-carbamimidoylphenyl)-2-(phenylsulfonylamino)-3-(4-piperidin-4-yloxyphenyl)propanamide

Systemtic Name: N-(3-carbamimidoylphenyl)-2-(phenylsulfonylamino)-3-(4-piperidin-4-yloxyphenyl)propanamide Openeye Name: 2-(benzenesulfonamido)-N-(3-carbamimidoylphenyl)-3-[4-(4-piperidyloxy)phenyl]propanamide CAS Name: 2-(benzenesulfonamido)-N-(3-carbamimidoylphenyl)-3-[4-(4-piperidinyloxy)phenyl]propanamide IUPAC Name: 2-(benzenesulfonamido)-N-(3-carbamimidoylphenyl)-3-(4-piperidin-4-yloxyphenyl)propanamide Traditional Name: N-(3-amidinophenyl)-2-(benzenesulfonamido)-3-[4-(4-piperidyloxy)phenyl]propionamide Formula: C27H31N5O4S MolecularWeight: 521.63114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC2=CC=C(C=C2)CC(C(=O)NC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CNCCC1OC2=CC=C(C=C2)CC(C(=O)NC3=CC=CC(=C3)C(=N)N)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N5O4S/c28-26(29)20-5-4-6-21(18-20)31-27(33)25(32-37(34,35)24-7-2-1-3-8-24)17-19-9-11-22(12-10-19)36-23-13-15-30-16-14-23/h1-12,18,23,25,30,32H,13-17H2,(H3,28,29)(H,31,33)