1-(phenylsulfonyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[4-(isopropylcarbamoylamino)phenyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[4-(isopropylcarbamoylamino)phenyl]nipecotamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-16(2)23-22(28)25-19-12-10-18(11-13-19)24-21(27)17-7-6-14-26(15-17)31(29,30)20-8-4-3-5-9-20/h3-5,8-13,16-17H,6-7,14-15H2,1-2H3,(H,24,27)(H2,23,25,28)