N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide

Systemtic Name: N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide Openeye Name: N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide CAS Name: N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(1-tetrazolyl)benzenesulfonamide IUPAC Name: N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide Traditional Name: N-cyclopentyl-4-(tetrazol-1-yl)-N-veratryl-benzenesulfonamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C2CCCC2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C2CCCC2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4)OC

InChI

InChI=1S/C21H25N5O4S/c1-29-20-12-7-16(13-21(20)30-2)14-26(18-5-3-4-6-18)31(27,28)19-10-8-17(9-11-19)25-15-22-23-24-25/h7-13,15,18H,3-6,14H2,1-2H3