4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]aniline

Systemtic Name: 4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]aniline Openeye Name: 4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]aniline CAS Name: 4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]aniline IUPAC Name: 4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]aniline Traditional Name: [4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]-[3-(1,2,4-triazol-1-ylmethyl)phenyl]amine Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC(=C3)CN4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC=CC(=C3)CN4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4S/c1-16-4-3-9-26(12-16)32(30,31)19-7-8-20(21(11-19)27(28)29)24-18-6-2-5-17(10-18)13-25-15-22-14-23-25/h2,5-8,10-11,14-16,24H,3-4,9,12-13H2,1H3