2-[2-azanyl-1-[2-(4-chlorophenyl)ethyl]-4,5-dimethyl-pyrrol-3-yl]sulfonylethanenitrile

Systemtic Name: 2-[2-azanyl-1-[2-(4-chlorophenyl)ethyl]-4,5-dimethyl-pyrrol-3-yl]sulfonylethanenitrile Openeye Name: 2-[2-amino-1-[2-(4-chlorophenyl)ethyl]-4,5-dimethyl-pyrrol-3-yl]sulfonylacetonitrile CAS Name: 2-[[2-amino-1-[2-(4-chlorophenyl)ethyl]-4,5-dimethyl-3-pyrrolyl]sulfonyl]acetonitrile IUPAC Name: 2-[2-amino-1-[2-(4-chlorophenyl)ethyl]-4,5-dimethylpyrrol-3-yl]sulfonylacetonitrile Traditional Name: 2-[2-amino-1-[2-(4-chlorophenyl)ethyl]-4,5-dimethyl-pyrrol-3-yl]sulfonylacetonitrile Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)CC#N)N)CCC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)CC#N)N)CCC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C16H18ClN3O2S/c1-11-12(2)20(9-7-13-3-5-14(17)6-4-13)16(19)15(11)23(21,22)10-8-18/h3-6H,7,9-10,19H2,1-2H3