[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,5-dimethyl-pyrrol-2-yl]-(4-methylpiperidin-1-yl)methanone

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,5-dimethyl-pyrrol-2-yl]-(4-methylpiperidin-1-yl)methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,5-dimethyl-pyrrol-2-yl]-(4-methyl-1-piperidyl)methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,5-dimethyl-2-pyrrolyl]-(4-methyl-1-piperidinyl)methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,5-dimethylpyrrol-2-yl]-(4-methylpiperidin-1-yl)methanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,5-dimethyl-pyrrol-2-yl]-(4-methylpiperidino)methanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CC(=C(N2C)C)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CC(=C(N2C)C)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H29N3O3S/c1-16-8-11-24(12-9-16)22(26)20-14-21(17(2)23(20)3)29(27,28)25-13-10-18-6-4-5-7-19(18)15-25/h4-7,14,16H,8-13,15H2,1-3H3