2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[(2,4-dimethylanilino)-oxomethyl]propanamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-[(2,4-dimethylphenyl)carbamoyl]propionamide Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C23H30N4O4S2/c1-16-8-10-20(17(2)14-16)25-23(29)26-22(28)18(3)32-21-11-9-19(15-24-21)33(30,31)27-12-6-4-5-7-13-27/h8-11,14-15,18H,4-7,12-13H2,1-3H3,(H2,25,26,28,29)