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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H30N2O4S2/c1-29-20-10-8-18(9-11-20)21-6-3-2-4-14-25(21)23(26)19-12-15-24(16-13-19)31(27,28)22-7-5-17-30-22/h5,7-11,17,19,21H,2-4,6,12-16H2,1H3/t21-/m1/s1