N-[1-(4-butanoylpiperazin-1-yl)-3-(3-cyanophenyl)-1-oxidanylidene-propan-2-yl]naphthalene-2-sulfonamide

Systemtic Name: N-[1-(4-butanoylpiperazin-1-yl)-3-(3-cyanophenyl)-1-oxidanylidene-propan-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[2-(4-butanoylpiperazin-1-yl)-1-[(3-cyanophenyl)methyl]-2-oxo-ethyl]naphthalene-2-sulfonamide CAS Name: N-[3-(3-cyanophenyl)-1-oxo-1-[4-(1-oxobutyl)-1-piperazinyl]propan-2-yl]-2-naphthalenesulfonamide IUPAC Name: N-[1-(4-butanoylpiperazin-1-yl)-3-(3-cyanophenyl)-1-oxopropan-2-yl]naphthalene-2-sulfonamide Traditional Name: N-[2-(4-butyrylpiperazino)-1-(3-cyanobenzyl)-2-keto-ethyl]naphthalene-2-sulfonamide Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C(=O)C(CC2=CC=CC(=C2)C#N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H30N4O4S/c1-2-6-27(33)31-13-15-32(16-14-31)28(34)26(18-21-7-5-8-22(17-21)20-29)30-37(35,36)25-12-11-23-9-3-4-10-24(23)19-25/h3-5,7-12,17,19,26,30H,2,6,13-16,18H2,1H3