2-[2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanamide

Systemtic Name: 2-[2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanamide Openeye Name: 2-[2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]sulfanyl-4-methyl-thiazol-5-yl]acetamide CAS Name: 2-[2-[[4-(1-azepanylsulfonyl)-2-nitrophenyl]thio]-4-methyl-5-thiazolyl]acetamide IUPAC Name: 2-[2-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide Traditional Name: 2-[2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]thio]-4-methyl-thiazol-5-yl]acetamide Formula: C18H22N4O5S3 MolecularWeight: 470.58608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])CC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])CC(=O)N

InChI

InChI=1S/C18H22N4O5S3/c1-12-16(11-17(19)23)29-18(20-12)28-15-7-6-13(10-14(15)22(24)25)30(26,27)21-8-4-2-3-5-9-21/h6-7,10H,2-5,8-9,11H2,1H3,(H2,19,23)