1-[2-azanyl-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)piperidin-1-yl]propan-1-one

Systemtic Name: 1-[2-azanyl-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)piperidin-1-yl]propan-1-one Openeye Name: 1-[2-amino-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)-1-piperidyl]propan-1-one CAS Name: 1-[2-amino-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-[2-amino-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)piperidin-1-yl]propan-1-one Traditional Name: 1-[2-amino-4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)piperidino]propan-1-one Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(CC1(N)S(=O)(=O)C2=CC3=C(CCNC3)C=C2)C

Isomeric SMILES

CCC(=O)N1CCC(CC1(N)S(=O)(=O)C2=CC3=C(CCNC3)C=C2)C

InChI

InChI=1S/C18H27N3O3S/c1-3-17(22)21-9-7-13(2)11-18(21,19)25(23,24)16-5-4-14-6-8-20-12-15(14)10-16/h4-5,10,13,20H,3,6-9,11-12,19H2,1-2H3