N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[(3-chlorophenyl)methyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (3-chlorobenzyl)-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C18H21ClN4O4S MolecularWeight: 424.90174

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN4O4S/c1-21-7-9-22(10-8-21)28(26,27)16-5-6-17(18(12-16)23(24)25)20-13-14-3-2-4-15(19)11-14/h2-6,11-12,20H,7-10,13H2,1H3