N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(1S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(2S)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(1S)-2-keto-2-[4-(2-methoxyphenyl)piperazino]-1-methyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2OC)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2OC)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H29N3O6S/c1-17(24-33(28,29)18-8-9-21-22(16-18)32-15-5-14-31-21)23(27)26-12-10-25(11-13-26)19-6-3-4-7-20(19)30-2/h3-4,6-9,16-17,24H,5,10-15H2,1-2H3/t17-/m0/s1