[2-(4-methoxyphenyl)azepan-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone

Systemtic Name: [2-(4-methoxyphenyl)azepan-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone Openeye Name: [2-(4-methoxyphenyl)azepan-1-yl]-[1-(2-thienylsulfonyl)-3-piperidyl]methanone CAS Name: [2-(4-methoxyphenyl)-1-azepanyl]-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methanone IUPAC Name: [2-(4-methoxyphenyl)azepan-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone Traditional Name: [2-(4-methoxyphenyl)azepan-1-yl]-[1-(2-thienylsulfonyl)-3-piperidyl]methanone Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H30N2O4S2/c1-29-20-12-10-18(11-13-20)21-8-3-2-4-15-25(21)23(26)19-7-5-14-24(17-19)31(27,28)22-9-6-16-30-22/h6,9-13,16,19,21H,2-5,7-8,14-15,17H2,1H3