4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(3-phenylpropyl)aniline

Systemtic Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(3-phenylpropyl)aniline Openeye Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(3-phenylpropyl)aniline CAS Name: 4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitro-N-(3-phenylpropyl)aniline IUPAC Name: 4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(3-phenylpropyl)aniline Traditional Name: [4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-(3-phenylpropyl)amine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-22-12-14-23(15-13-22)29(27,28)18-9-10-19(20(16-18)24(25)26)21-11-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,16,21H,5,8,11-15H2,1H3