N-(4-methylcyclohexyl)-3-nitro-4-[[(1S)-1-pyridin-2-ylethyl]amino]benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-3-nitro-4-[[(1S)-1-pyridin-2-ylethyl]amino]benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-3-nitro-4-[[(1S)-1-(2-pyridyl)ethyl]amino]benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-3-nitro-4-[[(1S)-1-(2-pyridinyl)ethyl]amino]benzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-3-nitro-4-[[(1S)-1-pyridin-2-ylethyl]amino]benzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-3-nitro-4-[[(1S)-1-(2-pyridyl)ethyl]amino]benzenesulfonamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NC(C)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N[C@@H](C)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-14-6-8-16(9-7-14)23-29(27,28)17-10-11-19(20(13-17)24(25)26)22-15(2)18-5-3-4-12-21-18/h3-5,10-16,22-23H,6-9H2,1-2H3/t14?,15-,16?/m0/s1