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

Systemtic Name: azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,2,5-trimethyl-pyrrol-3-yl]methanone Openeye Name: azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,2,5-trimethyl-pyrrol-3-yl]methanone CAS Name: 1-azepanyl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,2,5-trimethyl-3-pyrrolyl]methanone IUPAC Name: azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,2,5-trimethylpyrrol-3-yl]methanone Traditional Name: azepan-1-yl-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1,2,5-trimethyl-pyrrol-3-yl]methanone Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=C(N1C)C)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H31N3O3S/c1-17-21(23(27)25-13-8-4-5-9-14-25)22(18(2)24(17)3)30(28,29)26-15-12-19-10-6-7-11-20(19)16-26/h6-7,10-11H,4-5,8-9,12-16H2,1-3H3