[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C22H25ClN2O5S2 MolecularWeight: 497.0273

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25ClN2O5S2/c1-2-11-24(15-18-9-10-20(23)31-18)21(26)16-30-22(27)17-7-6-8-19(14-17)32(28,29)25-12-4-3-5-13-25/h2,6-10,14H,1,3-5,11-13,15-16H2