N-(4-ethoxyphenyl)-N-methyl-4-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1H-quinoline-6-sulfonamide

Systemtic Name: N-(4-ethoxyphenyl)-N-methyl-4-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1H-quinoline-6-sulfonamide Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide CAS Name: N-(4-ethoxyphenyl)-N-methyl-4-oxo-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-quinoline-6-sulfonamide IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)-N-methyl-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-4-keto-N-methyl-N-p-phenetyl-1H-quinoline-6-sulfonamide Formula: C30H32N4O5S MolecularWeight: 560.66388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O5S/c1-3-39-24-11-9-23(10-12-24)32(2)40(37,38)25-13-14-28-26(19-25)29(35)27(20-31-28)30(36)34-17-15-33(16-18-34)21-22-7-5-4-6-8-22/h4-14,19-20H,3,15-18,21H2,1-2H3,(H,31,35)