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

Systemtic Name: N-[3-(3-cyanophenyl)-1-(4-hexanoylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]-2-(4-hexanoylpiperazin-1-yl)-2-oxo-ethyl]naphthalene-2-sulfonamide CAS Name: N-[3-(3-cyanophenyl)-1-oxo-1-[4-(1-oxohexyl)-1-piperazinyl]propan-2-yl]-2-naphthalenesulfonamide IUPAC Name: N-[3-(3-cyanophenyl)-1-(4-hexanoylpiperazin-1-yl)-1-oxopropan-2-yl]naphthalene-2-sulfonamide Traditional Name: N-[2-(4-caproylpiperazino)-1-(3-cyanobenzyl)-2-keto-ethyl]naphthalene-2-sulfonamide Formula: C30H34N4O4S MolecularWeight: 546.68036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O4S/c1-2-3-4-12-29(35)33-15-17-34(18-16-33)30(36)28(20-23-8-7-9-24(19-23)22-31)32-39(37,38)27-14-13-25-10-5-6-11-26(25)21-27/h5-11,13-14,19,21,28,32H,2-4,12,15-18,20H2,1H3