N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N2O5S/c1-17-7-9-19(16-22(17)31(27,28)25-11-4-2-3-5-12-25)24-23(26)18-8-10-20-21(15-18)30-14-6-13-29-20/h7-10,15-16H,2-6,11-14H2,1H3,(H,24,26)