2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: 2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: 2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-benzyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propionamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(C)C(=O)NCC3=CC=CC=C3

InChI

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