2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)propanamide

Systemtic Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)propanamide Openeye Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)propanamide CAS Name: 2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-N-(1-phenylethyl)propanamide IUPAC Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)propanamide Traditional Name: 2-[4-(2-nitrophenyl)sulfonylpiperazino]-N-(1-phenylethyl)propionamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-16(18-8-4-3-5-9-18)22-21(26)17(2)23-12-14-24(15-13-23)31(29,30)20-11-7-6-10-19(20)25(27)28/h3-11,16-17H,12-15H2,1-2H3,(H,22,26)