N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-[(phenylmethyl)carbamoylamino]propanamide

Systemtic Name: N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-[(phenylmethyl)carbamoylamino]propanamide Openeye Name: 3-(benzylcarbamoylamino)-N-[(2-morpholinosulfonylphenyl)methyl]propanamide CAS Name: N-[[2-(4-morpholinylsulfonyl)phenyl]methyl]-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propanamide IUPAC Name: 3-(benzylcarbamoylamino)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide Traditional Name: 3-(benzylcarbamoylamino)-N-(2-morpholinosulfonylbenzyl)propionamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC(=O)CCNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC(=O)CCNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O5S/c27-21(10-11-23-22(28)25-16-18-6-2-1-3-7-18)24-17-19-8-4-5-9-20(19)32(29,30)26-12-14-31-15-13-26/h1-9H,10-17H2,(H,24,27)(H2,23,25,28)