[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C23H28N2O4S/c1-29-22-13-12-19(30(27,28)24-14-6-2-3-7-15-24)17-20(22)23(26)25-16-8-10-18-9-4-5-11-21(18)25/h4-5,9,11-13,17H,2-3,6-8,10,14-16H2,1H3