[2-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]oxy-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[[1-(1,4-dithiepan-6-yl)-4-piperidyl]oxy]-4-methoxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-(1,4-dithiepan-6-yl)-4-piperidinyl]oxy]-4-methoxyphenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[[1-(1,4-dithiepan-6-yl)-4-piperidyl]oxy]-4-methoxy-phenyl]-pyrrolidino-methanone Formula: C22H32N2O3S2 MolecularWeight: 436.63108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CCN(CC3)C4CSCCSC4

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCC2)OC3CCN(CC3)C4CSCCSC4

InChI

InChI=1S/C22H32N2O3S2/c1-26-19-4-5-20(22(25)24-8-2-3-9-24)21(14-19)27-18-6-10-23(11-7-18)17-15-28-12-13-29-16-17/h4-5,14,17-18H,2-3,6-13,15-16H2,1H3