N-[4-[[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]ethanamide

Systemtic Name: N-[4-[[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]ethanamide Openeye Name: N-[4-[[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]acetamide Traditional Name: N-[4-[[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]acetamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C=CC(SC3=CC=CC=C32)CCN(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C=CC(SC3=CC=CC=C32)CCN(C)C

InChI

InChI=1S/C21H25N3O3S2/c1-16(25)22-17-8-10-19(11-9-17)29(26,27)24-15-13-18(12-14-23(2)3)28-21-7-5-4-6-20(21)24/h4-11,13,15,18H,12,14H2,1-3H3,(H,22,25)