N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[(2-methyl-1H-indol-3-yl)thio]ethyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(2-methyl-1H-indol-3-yl)thio]ethyl]-4-piperidinosulfonyl-benzamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)SCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)SCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H27N3O3S2/c1-17-22(20-7-3-4-8-21(20)25-17)30-16-13-24-23(27)18-9-11-19(12-10-18)31(28,29)26-14-5-2-6-15-26/h3-4,7-12,25H,2,5-6,13-16H2,1H3,(H,24,27)