6-(azepan-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxidanylidene-1-prop-2-enyl-quinoline-3-carboxamide Openeye Name: 1-allyl-6-(azepan-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-quinoline-3-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-oxo-1-prop-2-enyl-3-quinolinecarboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1-prop-2-enylquinoline-3-carboxamide Traditional Name: 1-allyl-6-(azepan-1-ylsulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-keto-quinoline-3-carboxamide Formula: C26H36N4O4S MolecularWeight: 500.65344

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCCC4)CC=C

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCCCCC4)CC=C

InChI

InChI=1S/C26H36N4O4S/c1-3-13-29-19-23(26(32)27-18-20-10-9-14-28(20)4-2)25(31)22-17-21(11-12-24(22)29)35(33,34)30-15-7-5-6-8-16-30/h3,11-12,17,19-20H,1,4-10,13-16,18H2,2H3,(H,27,32)