N-[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide hydrochloride IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide hydrochloride Traditional Name: N-[5-chloro-2-(4-ethylpiperazino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide hydrochloride Formula: C21H27Cl2N3O4S MolecularWeight: 488.42778

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4.Cl

InChI

InChI=1S/C21H26ClN3O4S.ClH/c1-2-24-8-10-25(11-9-24)19-6-4-16(22)14-18(19)23-30(26,27)17-5-7-20-21(15-17)29-13-3-12-28-20;/h4-7,14-15,23H,2-3,8-13H2,1H3;1H