1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethanone

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethanone Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-pyrrolidin-1-ylsulfonylanilino)ethanone CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-pyrrolidin-1-ylsulfonylanilino)ethanone Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-pyrrolidinosulfonylanilino)ethanone Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CNC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CNC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H27N3O3S2/c1-17-12-15-25(20-6-2-3-7-21(20)29-17)22(26)16-23-18-8-10-19(11-9-18)30(27,28)24-13-4-5-14-24/h2-3,6-11,17,23H,4-5,12-16H2,1H3