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

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-(3,4-dihydro-1H-isoquinolin-2-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)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

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