[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1-thiophen-2-ylcarbonylpiperidin-4-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1-thiophen-2-ylcarbonylpiperidin-4-yl)methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-[1-(thiophene-2-carbonyl)-4-piperidyl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone Traditional Name: [1-(2-thenoyl)-4-piperidyl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H29N3O4S2 MolecularWeight: 475.62406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H29N3O4S2/c1-18-5-7-20(8-6-18)32(29,30)26-12-3-11-24(15-16-26)22(27)19-9-13-25(14-10-19)23(28)21-4-2-17-31-21/h2,4-8,17,19H,3,9-16H2,1H3