[3-azanyl-5-[(2-methylphenyl)amino]-4-propylsulfonyl-thiophen-2-yl]-phenyl-methanone

Systemtic Name: [3-azanyl-5-[(2-methylphenyl)amino]-4-propylsulfonyl-thiophen-2-yl]-phenyl-methanone Openeye Name: [3-amino-5-(2-methylanilino)-4-propylsulfonyl-2-thienyl]-phenyl-methanone CAS Name: [3-amino-5-(2-methylanilino)-4-propylsulfonyl-2-thiophenyl]-phenylmethanone IUPAC Name: [3-amino-5-(2-methylanilino)-4-propylsulfonylthiophen-2-yl]-phenylmethanone Traditional Name: [3-amino-5-(o-toluidino)-4-propylsulfonyl-2-thienyl]-phenyl-methanone Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=C(SC(=C1N)C(=O)C2=CC=CC=C2)NC3=CC=CC=C3C

Isomeric SMILES

CCCS(=O)(=O)C1=C(SC(=C1N)C(=O)C2=CC=CC=C2)NC3=CC=CC=C3C

InChI

InChI=1S/C21H22N2O3S2/c1-3-13-28(25,26)20-17(22)19(18(24)15-10-5-4-6-11-15)27-21(20)23-16-12-8-7-9-14(16)2/h4-12,23H,3,13,22H2,1-2H3