1-[3-(3-chloranyl-4-methylsulfonyl-thiophen-2-yl)carbonyl-3,8-diazaspiro[4.5]decan-8-yl]-3-(2-ethoxyphenyl)prop-2-en-1-one

Systemtic Name: 1-[3-(3-chloranyl-4-methylsulfonyl-thiophen-2-yl)carbonyl-3,8-diazaspiro[4.5]decan-8-yl]-3-(2-ethoxyphenyl)prop-2-en-1-one Openeye Name: 1-[3-(3-chloro-4-methylsulfonyl-thiophene-2-carbonyl)-3,8-diazaspiro[4.5]decan-8-yl]-3-(2-ethoxyphenyl)prop-2-en-1-one CAS Name: 1-[3-[(3-chloro-4-methylsulfonyl-2-thiophenyl)-oxomethyl]-3,8-diazaspiro[4.5]decan-8-yl]-3-(2-ethoxyphenyl)-2-propen-1-one IUPAC Name: 1-[3-(3-chloro-4-methylsulfonylthiophene-2-carbonyl)-3,8-diazaspiro[4.5]decan-8-yl]-3-(2-ethoxyphenyl)prop-2-en-1-one Traditional Name: 1-[3-(3-chloro-4-mesyl-thiophene-2-carbonyl)-3,8-diazaspiro[4.5]decan-8-yl]-3-o-phenetyl-prop-2-en-1-one Formula: C25H29ClN2O5S2 MolecularWeight: 537.09116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)N2CCC3(CC2)CCN(C3)C(=O)C4=C(C(=CS4)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC1=CC=CC=C1C=CC(=O)N2CCC3(CC2)CCN(C3)C(=O)C4=C(C(=CS4)S(=O)(=O)C)Cl

InChI

InChI=1S/C25H29ClN2O5S2/c1-3-33-19-7-5-4-6-18(19)8-9-21(29)27-13-10-25(11-14-27)12-15-28(17-25)24(30)23-22(26)20(16-34-23)35(2,31)32/h4-9,16H,3,10-15,17H2,1-2H3