6-(azepan-1-ylsulfonyl)-2-oxidanylidene-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide

Systemtic Name: 6-(azepan-1-ylsulfonyl)-2-oxidanylidene-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide Openeye Name: 6-(azepan-1-ylsulfonyl)-2-oxo-N-(2-thienylmethyl)-1H-quinoline-4-carboxamide CAS Name: 6-(1-azepanylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide IUPAC Name: 6-(azepan-1-ylsulfonyl)-2-oxo-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide Traditional Name: 6-(azepan-1-ylsulfonyl)-2-keto-N-(2-thenyl)-1H-quinoline-4-carboxamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H23N3O4S2/c25-20-13-18(21(26)22-14-15-6-5-11-29-15)17-12-16(7-8-19(17)23-20)30(27,28)24-9-3-1-2-4-10-24/h5-8,11-13H,1-4,9-10,14H2,(H,22,26)(H,23,25)