1-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]benzotriazole

Systemtic Name: 1-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]benzotriazole Openeye Name: 1-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]benzotriazole CAS Name: 1-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]benzotriazole IUPAC Name: 1-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]benzotriazole Traditional Name: 1-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]benzotriazole Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4S/c1-13-5-4-10-21(12-13)28(26,27)14-8-9-17(18(11-14)23(24)25)22-16-7-3-2-6-15(16)19-20-22/h2-3,6-9,11,13H,4-5,10,12H2,1H3