3-(4-piperidin-1-ylsulfonylphenyl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(4-piperidin-1-ylsulfonylphenyl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-[4-(1-piperidylsulfonyl)phenyl]-1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(4-piperidin-1-ylsulfonylphenyl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(4-piperidinosulfonylphenyl)-1-[4-(2-thenyl)-1,4-diazepan-1-yl]propan-1-one Formula: C24H33N3O3S2 MolecularWeight: 475.66712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C24H33N3O3S2/c28-24(26-14-5-13-25(17-18-26)20-22-6-4-19-31-22)12-9-21-7-10-23(11-8-21)32(29,30)27-15-2-1-3-16-27/h4,6-8,10-11,19H,1-3,5,9,12-18,20H2