6-(azepan-1-ylsulfonyl)-4-oxidanylidene-N-phenethyl-1-prop-2-enyl-quinoline-3-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-4-oxidanylidene-N-phenethyl-1-prop-2-enyl-quinoline-3-carboxamide Openeye Name: 1-allyl-6-(azepan-1-ylsulfonyl)-4-oxo-N-phenethyl-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-4-oxo-N-phenethyl-1-prop-2-enyl-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-4-oxo-N-phenethyl-1-prop-2-enylquinoline-3-carboxamide Traditional Name: 1-allyl-6-(azepan-1-ylsulfonyl)-4-keto-N-phenethyl-quinoline-3-carboxamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C=CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-2-16-29-20-24(27(32)28-15-14-21-10-6-5-7-11-21)26(31)23-19-22(12-13-25(23)29)35(33,34)30-17-8-3-4-9-18-30/h2,5-7,10-13,19-20H,1,3-4,8-9,14-18H2,(H,28,32)