2-azanyl-N-[3-(1H-indol-3-yl)-1-(7-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide

Systemtic Name: 2-azanyl-N-[3-(1H-indol-3-yl)-1-(7-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide Openeye Name: 2-amino-N-[1-(1H-indol-3-ylmethyl)-2-(7-morpholinosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2-methyl-propanamide CAS Name: 2-amino-N-[3-(1H-indol-3-yl)-1-[7-(4-morpholinylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxopropan-2-yl]-2-methylpropanamide IUPAC Name: 2-amino-N-[3-(1H-indol-3-yl)-1-(7-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-methylpropanamide Traditional Name: 2-amino-N-[1-(1H-indol-3-ylmethyl)-2-keto-2-(7-morpholinosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-propionamide Formula: C28H35N5O5S MolecularWeight: 553.673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC4=C(C3)C=C(C=C4)S(=O)(=O)N5CCOCC5)N

Isomeric SMILES

CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC4=C(C3)C=C(C=C4)S(=O)(=O)N5CCOCC5)N

InChI

InChI=1S/C28H35N5O5S/c1-28(2,29)27(35)31-25(16-20-17-30-24-6-4-3-5-23(20)24)26(34)32-10-9-19-7-8-22(15-21(19)18-32)39(36,37)33-11-13-38-14-12-33/h3-8,15,17,25,30H,9-14,16,18,29H2,1-2H3,(H,31,35)