N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[3-(4-methyl-1-piperazinyl)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-[3-(4-methylpiperazino)propyl]acetamide Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N5O5S/c1-24-13-15-25(16-14-24)12-6-11-23-22(28)18-26(19-7-5-8-20(17-19)27(29)30)33(31,32)21-9-3-2-4-10-21/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,23,28)