N-[4-(azepan-1-yl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[4-(1-azepanyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C23H29N3O3S/c1-30(28,29)26-16-6-7-18-17-19(8-13-22(18)26)23(27)24-20-9-11-21(12-10-20)25-14-4-2-3-5-15-25/h8-13,17H,2-7,14-16H2,1H3,(H,24,27)