3-[(phenylmethyl)carbamoylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide

Systemtic Name: 3-[(phenylmethyl)carbamoylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide Openeye Name: 3-(benzylcarbamoylamino)-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]propanamide CAS Name: 3-[[oxo-[(phenylmethyl)amino]methyl]amino]-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]propanamide IUPAC Name: 3-(benzylcarbamoylamino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide Traditional Name: 3-(benzylcarbamoylamino)-N-(4-piperidinosulfonylbenzyl)propionamide Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)CCNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)CCNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O4S/c28-22(13-14-24-23(29)26-18-19-7-3-1-4-8-19)25-17-20-9-11-21(12-10-20)32(30,31)27-15-5-2-6-16-27/h1,3-4,7-12H,2,5-6,13-18H2,(H,25,28)(H2,24,26,29)