N,N-dimethyl-1-[[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]amino]methyl]cycloheptan-1-amine

Systemtic Name: N,N-dimethyl-1-[[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]amino]methyl]cycloheptan-1-amine Openeye Name: N,N-dimethyl-1-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-anilino]methyl]cycloheptanamine CAS Name: N,N-dimethyl-1-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroanilino]methyl]-1-cycloheptanamine IUPAC Name: N,N-dimethyl-1-[[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroanilino]methyl]cycloheptan-1-amine Traditional Name: dimethyl-[1-[[4-(4-methylpiperazino)sulfonyl-2-nitro-anilino]methyl]cycloheptyl]amine Formula: C21H35N5O4S MolecularWeight: 453.5987

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3(CCCCCC3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3(CCCCCC3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H35N5O4S/c1-23(2)21(10-6-4-5-7-11-21)17-22-19-9-8-18(16-20(19)26(27)28)31(29,30)25-14-12-24(3)13-15-25/h8-9,16,22H,4-7,10-15,17H2,1-3H3