N-tert-butyl-2-[4-(6-chloranylpyridin-3-yl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(6-chloranylpyridin-3-yl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(6-chloro-3-pyridyl)sulfonyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(6-chloro-3-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(6-chloropyridin-3-yl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(6-chloro-3-pyridyl)sulfonyl]-1,4-diazepan-1-yl]acetamide Formula: C16H25ClN4O3S MolecularWeight: 388.9127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C16H25ClN4O3S/c1-16(2,3)19-15(22)12-20-7-4-8-21(10-9-20)25(23,24)13-5-6-14(17)18-11-13/h5-6,11H,4,7-10,12H2,1-3H3,(H,19,22)