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

Systemtic Name: 4-chloranyl-N,N-diethyl-3-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]carbonyl]benzenesulfonamide Openeye Name: 4-chloro-N,N-diethyl-3-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzenesulfonamide CAS Name: 4-chloro-N,N-diethyl-3-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-chloro-N,N-diethyl-3-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzenesulfonamide Traditional Name: 4-chloro-N,N-diethyl-3-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzenesulfonamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3S2/c1-4-23(5-2)29(26,27)16-10-11-18(22)17(14-16)21(25)24-13-12-15(3)28-20-9-7-6-8-19(20)24/h6-11,14-15H,4-5,12-13H2,1-3H3/t15-/m0/s1