(E)-3-[2-chloranyl-4-(2-methoxyphenyl)sulfanyl-phenyl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[2-chloranyl-4-(2-methoxyphenyl)sulfanyl-phenyl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[2-chloro-4-(2-methoxyphenyl)sulfanyl-phenyl]-1-(4-pyrrolidin-1-yl-1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-[2-chloro-4-[(2-methoxyphenyl)thio]phenyl]-1-[4-(1-pyrrolidinyl)-1-piperidinyl]-2-propen-1-one IUPAC Name: (E)-3-[2-chloro-4-(2-methoxyphenyl)sulfanylphenyl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[2-chloro-4-[(2-methoxyphenyl)thio]phenyl]-1-(4-pyrrolidinopiperidino)prop-2-en-1-one Formula: C25H29ClN2O2S MolecularWeight: 457.02796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1SC2=CC(=C(C=C2)C=CC(=O)N3CCC(CC3)N4CCCC4)Cl

Isomeric SMILES

COC1=CC=CC=C1SC2=CC(=C(C=C2)/C=C/C(=O)N3CCC(CC3)N4CCCC4)Cl

InChI

InChI=1S/C25H29ClN2O2S/c1-30-23-6-2-3-7-24(23)31-21-10-8-19(22(26)18-21)9-11-25(29)28-16-12-20(13-17-28)27-14-4-5-15-27/h2-3,6-11,18,20H,4-5,12-17H2,1H3/b11-9+