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

Systemtic Name: N-[4-[[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]sulfonyl]phenyl]-2-methyl-benzamide Formula: C27H29N3O3S2 MolecularWeight: 507.66746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3C=CC(SC4=CC=CC=C43)CCN(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3C=CC(SC4=CC=CC=C43)CCN(C)C

InChI

InChI=1S/C27H29N3O3S2/c1-20-8-4-5-9-24(20)27(31)28-21-12-14-23(15-13-21)35(32,33)30-19-17-22(16-18-29(2)3)34-26-11-7-6-10-25(26)30/h4-15,17,19,22H,16,18H2,1-3H3,(H,28,31)