N-[2,2-dimethyl-3-oxidanyl-6-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydrochromen-4-yl]-4-ethyl-benzenesulfonamide

Systemtic Name: N-[2,2-dimethyl-3-oxidanyl-6-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydrochromen-4-yl]-4-ethyl-benzenesulfonamide Openeye Name: N-[6-(4-benzylpiperazine-1-carbonyl)-3-hydroxy-2,2-dimethyl-chroman-4-yl]-4-ethyl-benzenesulfonamide CAS Name: 4-ethyl-N-[3-hydroxy-2,2-dimethyl-6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydro-2H-1-benzopyran-4-yl]benzenesulfonamide IUPAC Name: N-[6-(4-benzylpiperazine-1-carbonyl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-ethylbenzenesulfonamide Traditional Name: N-[6-(4-benzylpiperazine-1-carbonyl)-3-hydroxy-2,2-dimethyl-chroman-4-yl]-4-ethyl-benzenesulfonamide Formula: C31H37N3O5S MolecularWeight: 563.70758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(C(OC3=C2C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)(C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(C(OC3=C2C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=CC=C5)(C)C)O

InChI

InChI=1S/C31H37N3O5S/c1-4-22-10-13-25(14-11-22)40(37,38)32-28-26-20-24(12-15-27(26)39-31(2,3)29(28)35)30(36)34-18-16-33(17-19-34)21-23-8-6-5-7-9-23/h5-15,20,28-29,32,35H,4,16-19,21H2,1-3H3