(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-chloro-2,3-dihydrobenzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-chloro-2,3-dihydrobenzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-chloro-2,3-dihydro-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-chlorocoumaran-2-yl)-(4-p-phenetylsulfonylpiperazino)methanone Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-2-28-17-4-6-18(7-5-17)30(26,27)24-11-9-23(10-12-24)21(25)20-14-15-13-16(22)3-8-19(15)29-20/h3-8,13,20H,2,9-12,14H2,1H3