2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(1-cyclopropylethyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(1-cyclopropylethyl)-N-(phenylmethyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-benzyl-N-(1-cyclopropylethyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(1-cyclopropylethyl)-N-(phenylmethyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-benzyl-N-(1-cyclopropylethyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-benzyl-N-(1-cyclopropylethyl)acetamide Formula: C25H33N3O3S2 MolecularWeight: 487.67782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O3S2/c1-20(22-11-12-22)28(18-21-9-5-4-6-10-21)25(29)19-32-24-14-13-23(17-26-24)33(30,31)27-15-7-2-3-8-16-27/h4-6,9-10,13-14,17,20,22H,2-3,7-8,11-12,15-16,18-19H2,1H3