2-nitro-4-piperidin-1-ylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]aniline

Systemtic Name: 2-nitro-4-piperidin-1-ylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]aniline Openeye Name: 2-nitro-4-(1-piperidylsulfonyl)-N-[(1R)-1-(2-thienyl)ethyl]aniline CAS Name: 2-nitro-4-(1-piperidinylsulfonyl)-N-[(1R)-1-thiophen-2-ylethyl]aniline IUPAC Name: 2-nitro-4-piperidin-1-ylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]aniline Traditional Name: (2-nitro-4-piperidinosulfonyl-phenyl)-[(1R)-1-(2-thienyl)ethyl]amine Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CS1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S2/c1-13(17-6-5-11-25-17)18-15-8-7-14(12-16(15)20(21)22)26(23,24)19-9-3-2-4-10-19/h5-8,11-13,18H,2-4,9-10H2,1H3/t13-/m1/s1