N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]amine Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1CCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=CC=CC=C2N1CCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c1-14-7-8-15-5-3-4-6-18(15)21(14)12-11-20-17-10-9-16(27(2,25)26)13-19(17)22(23)24/h3-6,9-10,13-14,20H,7-8,11-12H2,1-2H3