4-[5-(3-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[5-(3-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[5-(3-methoxyphenyl)-2-tetrazolyl]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[5-(3-methoxyphenyl)tetrazol-2-yl]-3-nitro-benzenesulfonamide Formula: C17H18N6O5S MolecularWeight: 418.42702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2N=C(N=N2)C3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2N=C(N=N2)C3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O5S/c1-11(2)20-29(26,27)14-7-8-15(16(10-14)23(24)25)22-19-17(18-21-22)12-5-4-6-13(9-12)28-3/h4-11,20H,1-3H3