N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(7-methoxy-2,2-dimethyl-chroman-4-yl)benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-(7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)benzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide Traditional Name: 3-[(4-besylpiperazino)methyl]-N-(7-methoxy-2,2-dimethyl-chroman-4-yl)benzamide Formula: C30H35N3O5S MolecularWeight: 549.681

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=C(C=C2)OC)NC(=O)C3=CC(=CC=C3)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1(CC(C2=C(O1)C=C(C=C2)OC)NC(=O)C3=CC(=CC=C3)CN4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C30H35N3O5S/c1-30(2)20-27(26-13-12-24(37-3)19-28(26)38-30)31-29(34)23-9-7-8-22(18-23)21-32-14-16-33(17-15-32)39(35,36)25-10-5-4-6-11-25/h4-13,18-19,27H,14-17,20-21H2,1-3H3,(H,31,34)