3-methyl-N-[4-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]amino]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]amino]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-anilino]phenyl]butanamide CAS Name: 3-methyl-N-[4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroanilino]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroanilino]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[4-(4-methylpiperazino)sulfonyl-2-nitro-anilino]phenyl]butyramide Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O5S/c1-16(2)14-22(28)24-18-6-4-17(5-7-18)23-20-9-8-19(15-21(20)27(29)30)33(31,32)26-12-10-25(3)11-13-26/h4-9,15-16,23H,10-14H2,1-3H3,(H,24,28)