4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(1H-indol-3-yl)ethyl]butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(1H-indol-3-yl)ethyl]butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(1H-indol-3-yl)ethyl]butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(1H-indol-3-yl)ethyl]butanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(1H-indol-3-yl)ethyl]butanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[2-(1H-indol-3-yl)ethyl]butyramide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)NCCC3=CNC4=CC=CC=C43)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)NCCC3=CNC4=CC=CC=C43)OC1

InChI

InChI=1S/C23H27N3O5S/c27-23(24-12-10-17-16-25-20-6-2-1-5-19(17)20)7-3-11-26-32(28,29)18-8-9-21-22(15-18)31-14-4-13-30-21/h1-2,5-6,8-9,15-16,25-26H,3-4,7,10-14H2,(H,24,27)