N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[2-(2-methyl-1-benzimidazolyl)ethyl]-4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-(2-methylbenzimidazol-1-yl)ethyl-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCN3C(=NC4=CC=CC=C43)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCN3C(=NC4=CC=CC=C43)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4S/c1-16-6-5-12-25(15-16)32(30,31)18-9-10-19(22(14-18)27(28)29)23-11-13-26-17(2)24-20-7-3-4-8-21(20)26/h3-4,7-10,14,16,23H,5-6,11-13,15H2,1-2H3