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

Systemtic Name: (5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2,3-dihydrobenzofuran-2-yl)methanone CAS Name: (5-chloro-2,3-dihydrobenzofuran-2-yl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(5-chlorocoumaran-2-yl)methanone Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=C(O2)C=CC(=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2CC3=C(O2)C=CC(=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21ClN2O4S/c21-17-6-7-18-16(12-17)13-19(27-18)20(24)22-8-10-23(11-9-22)28(25,26)14-15-4-2-1-3-5-15/h1-7,12,19H,8-11,13-14H2