N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(1-cyclopropyl-5-tetrazolyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C4=NN=NN4C5CC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3)C4=NN=NN4C5CC5)OC1

InChI

InChI=1S/C19H19N5O4S/c25-29(26,16-7-8-17-18(12-16)28-10-2-9-27-17)21-14-4-1-3-13(11-14)19-20-22-23-24(19)15-5-6-15/h1,3-4,7-8,11-12,15,21H,2,5-6,9-10H2