4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)benzamide Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)S(=O)(=O)N5CCOCC5

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C28H31N3O5S/c1-35-26-11-10-25(18-27(26)37(33,34)31-14-16-36-17-15-31)29-28(32)23-8-6-21(7-9-23)19-30-13-12-22-4-2-3-5-24(22)20-30/h2-11,18H,12-17,19-20H2,1H3,(H,29,32)