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

Systemtic Name: 4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline Openeye Name: 4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline IUPAC Name: 4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline Traditional Name: [4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-[2-(1,2,4-triazol-1-yl)ethyl]amine Formula: C16H22N6O4S MolecularWeight: 394.44868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCN3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCN3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O4S/c1-13-4-7-21(8-5-13)27(25,26)14-2-3-15(16(10-14)22(23)24)18-6-9-20-12-17-11-19-20/h2-3,10-13,18H,4-9H2,1H3