[7-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]-3,4-dihydro-2H-chromen-2-yl]methyl benzenesulfonate

Systemtic Name: [7-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]-3,4-dihydro-2H-chromen-2-yl]methyl benzenesulfonate Openeye Name: [7-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]chroman-2-yl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [7-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-3,4-dihydro-2H-1-benzopyran-2-yl]methyl ester IUPAC Name: [7-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-3,4-dihydro-2H-chromen-2-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [7-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]chroman-2-yl]methyl ester Formula: C21H20ClNO6S3 MolecularWeight: 514.0346

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(CCC(O2)COS(=O)(=O)C3=CC=CC=C3)C=C1)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CN(C1=CC2=C(CCC(O2)COS(=O)(=O)C3=CC=CC=C3)C=C1)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H20ClNO6S3/c1-23(31(24,25)21-12-11-20(22)30-21)16-9-7-15-8-10-17(29-19(15)13-16)14-28-32(26,27)18-5-3-2-4-6-18/h2-7,9,11-13,17H,8,10,14H2,1H3