[4-(phenylmethyl)-1,4-diazepan-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[3-(1-piperidylsulfonyl)-2-thienyl]methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(3-piperidinosulfonyl-2-thienyl)methanone Formula: C22H29N3O3S2 MolecularWeight: 447.61396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N3O3S2/c26-22(21-20(10-17-29-21)30(27,28)25-13-5-2-6-14-25)24-12-7-11-23(15-16-24)18-19-8-3-1-4-9-19/h1,3-4,8-10,17H,2,5-7,11-16,18H2