4-(azepan-1-ylsulfonyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-methylthiazol-4-yl)ethyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(2-methyl-4-thiazolyl)ethyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[2-(2-methylthiazol-4-yl)ethyl]amine Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O4S2/c1-14-20-15(13-27-14)8-9-19-17-7-6-16(12-18(17)22(23)24)28(25,26)21-10-4-2-3-5-11-21/h6-7,12-13,19H,2-5,8-11H2,1H3