N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methyl-5-piperidin-1-ylsulfonyl-indole-2-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methyl-5-piperidin-1-ylsulfonyl-indole-2-carboxamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methyl-5-(1-piperidylsulfonyl)indole-2-carboxamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methyl-5-(1-piperidinylsulfonyl)-2-indolecarboxamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methyl-5-piperidinosulfonyl-indole-2-carboxamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C=C1C(=O)NCCCN4CCC5=CC=CC=C5C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C=C1C(=O)NCCCN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H34N4O3S/c1-29-25-11-10-24(35(33,34)31-15-5-2-6-16-31)18-23(25)19-26(29)27(32)28-13-7-14-30-17-12-21-8-3-4-9-22(21)20-30/h3-4,8-11,18-19H,2,5-7,12-17,20H2,1H3,(H,28,32)