dimethyl-[1-[[[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]methyl]cyclopentyl]azanium

Systemtic Name: dimethyl-[1-[[[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]methyl]cyclopentyl]azanium Openeye Name: dimethyl-[1-[[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-anilino]methyl]cyclopentyl]ammonium CAS Name: dimethyl-[1-[[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitroanilino]methyl]cyclopentyl]ammonium IUPAC Name: dimethyl-[1-[[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitroanilino]methyl]cyclopentyl]azanium Traditional Name: dimethyl-[1-[[4-(4-methylpiperidino)sulfonyl-2-nitro-anilino]methyl]cyclopentyl]ammonium Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3(CCCC3)[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3(CCCC3)[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H32N4O4S/c1-16-8-12-23(13-9-16)29(27,28)17-6-7-18(19(14-17)24(25)26)21-15-20(22(2)3)10-4-5-11-20/h6-7,14,16,21H,4-5,8-13,15H2,1-3H3/p+1