N-[(3-methylthiophen-2-yl)methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(3-methylthiophen-2-yl)methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(3-methyl-2-thienyl)methyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(3-methyl-2-thiophenyl)methyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(3-methylthiophen-2-yl)methyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: (3-methyl-2-thienyl)methyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S2/c1-13-7-10-25-17(13)12-18-15-6-5-14(11-16(15)20(21)22)26(23,24)19-8-3-2-4-9-19/h5-7,10-11,18H,2-4,8-9,12H2,1H3