5-methyl-1-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]benzotriazole

Systemtic Name: 5-methyl-1-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]benzotriazole Openeye Name: 5-methyl-1-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]benzotriazole CAS Name: 5-methyl-1-[1-(3-nitrophenyl)sulfonyl-4-piperidinyl]benzotriazole IUPAC Name: 5-methyl-1-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]benzotriazole Traditional Name: 5-methyl-1-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]benzotriazole Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

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