N-[4-(4-phenylpiperidin-1-yl)carbonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[4-(4-phenylpiperidin-1-yl)carbonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-(4-phenylpiperidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[oxo-(4-phenyl-1-piperidinyl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-(4-phenylpiperidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(4-phenylpiperidine-1-carbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)N4CCC(CC4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)N4CCC(CC4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C27H28N2O5S/c30-27(29-15-13-21(14-16-29)20-5-2-1-3-6-20)22-7-9-23(10-8-22)28-35(31,32)24-11-12-25-26(19-24)34-18-4-17-33-25/h1-3,5-12,19,21,28H,4,13-18H2