2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(1-benzylpyrrolidin-3-yl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[1-(phenylmethyl)-3-pyrrolidinyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(1-benzylpyrrolidin-3-yl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(1-benzylpyrrolidin-3-yl)acetamide Formula: C24H32N4O3S2 MolecularWeight: 488.66588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3S2/c29-23(26-21-12-15-27(18-21)17-20-8-4-3-5-9-20)19-32-24-11-10-22(16-25-24)33(30,31)28-13-6-1-2-7-14-28/h3-5,8-11,16,21H,1-2,6-7,12-15,17-19H2,(H,26,29)