[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[1-[(5-methyl-2-thienyl)sulfonyl]-3-piperidyl]methanone CAS Name: [1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[1-[(5-methyl-2-thienyl)sulfonyl]-3-piperidyl]methanone Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O3S2/c1-19-10-11-22(30-19)31(28,29)26-14-5-9-21(18-26)23(27)25-13-6-12-24(15-16-25)17-20-7-3-2-4-8-20/h2-4,7-8,10-11,21H,5-6,9,12-18H2,1H3