[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(furan-2-yl)prop-2-enoate

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(furan-2-yl)prop-2-enoate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] (E)-3-(2-furyl)prop-2-enoate CAS Name: (E)-3-(2-furanyl)-2-propenoic acid [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate Traditional Name: (E)-3-(2-furyl)acrylic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C=CC3=CC=CO3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C20H21ClN2O6S/c21-17-8-7-16(30(26,27)23-10-2-1-3-11-23)13-18(17)22-19(24)14-29-20(25)9-6-15-5-4-12-28-15/h4-9,12-13H,1-3,10-11,14H2,(H,22,24)/b9-6+