N-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]phenyl]methanesulfonamide CAS Name: N-[3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]phenyl]methanesulfonamide Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25N3O7S2/c1-32(26,27)22-17-5-2-4-16(14-17)21(25)23-8-10-24(11-9-23)33(28,29)18-6-7-19-20(15-18)31-13-3-12-30-19/h2,4-7,14-15,22H,3,8-13H2,1H3