(6-chloranyl-3,4-dihydro-2H-chromen-3-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-chromen-3-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(6-chlorochroman-3-yl)methanone CAS Name: (6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(6-chloro-3,4-dihydro-2H-chromen-3-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(6-chlorochroman-3-yl)methanone Formula: C21H23ClN2O4S MolecularWeight: 434.93632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=C(C=CC(=C3)Cl)OC2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2CC3=C(C=CC(=C3)Cl)OC2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23ClN2O4S/c22-19-6-7-20-17(13-19)12-18(14-28-20)21(25)23-8-10-24(11-9-23)29(26,27)15-16-4-2-1-3-5-16/h1-7,13,18H,8-12,14-15H2