2-ethoxy-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]naphthalene-1-carboxamide

Systemtic Name: 2-ethoxy-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]naphthalene-1-carboxamide Openeye Name: 2-ethoxy-N-[3-[4-(m-tolyl)piperazin-1-yl]sulfonylpropyl]naphthalene-1-carboxamide CAS Name: 2-ethoxy-N-[3-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]propyl]-1-naphthalenecarboxamide IUPAC Name: 2-ethoxy-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]naphthalene-1-carboxamide Traditional Name: 2-ethoxy-N-[3-[4-(m-tolyl)piperazino]sulfonylpropyl]-1-naphthamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NCCCS(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NCCCS(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C

InChI

InChI=1S/C27H33N3O4S/c1-3-34-25-13-12-22-9-4-5-11-24(22)26(25)27(31)28-14-7-19-35(32,33)30-17-15-29(16-18-30)23-10-6-8-21(2)20-23/h4-6,8-13,20H,3,7,14-19H2,1-2H3,(H,28,31)