N,N-diethyl-4-methyl-3-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]carbonyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-methyl-3-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]carbonyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-methyl-3-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzenesulfonamide CAS Name: N,N-diethyl-4-methyl-3-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-methyl-3-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-methyl-3-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzenesulfonamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N2CC[C@@H](SC3=CC=CC=C32)C

InChI

InChI=1S/C22H28N2O3S2/c1-5-23(6-2)29(26,27)18-12-11-16(3)19(15-18)22(25)24-14-13-17(4)28-21-10-8-7-9-20(21)24/h7-12,15,17H,5-6,13-14H2,1-4H3/t17-/m0/s1