2-[[2-(2,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-[[2-(2,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-[[2-(2,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]ethanone CAS Name: 2-[[2-(2,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-[[2-(2,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]ethanone Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-[[2-(2,4-dichlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]ethanone Formula: C30H33Cl2N3O4S MolecularWeight: 602.57172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)COCC2CC3=CC=CC=C3CN2S(=O)(=O)C4=C(C=C(C=C4)Cl)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)COCC2CC3=CC=CC=C3CN2S(=O)(=O)C4=C(C=C(C=C4)Cl)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C30H33Cl2N3O4S/c31-26-11-12-29(28(32)18-26)40(37,38)35-20-25-10-5-4-9-24(25)17-27(35)21-39-22-30(36)34-14-6-13-33(15-16-34)19-23-7-2-1-3-8-23/h1-5,7-12,18,27H,6,13-17,19-22H2