N',N'-dimethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]ethane-1,2-diamine

Systemtic Name: N',N'-dimethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]ethane-1,2-diamine Openeye Name: N',N'-dimethyl-N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]ethane-1,2-diamine CAS Name: N',N'-dimethyl-N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]ethane-1,2-diamine IUPAC Name: N',N'-dimethyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]ethane-1,2-diamine Traditional Name: dimethyl-[2-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-anilino]ethyl]amine Formula: C16H26N4O4S MolecularWeight: 370.46704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H26N4O4S/c1-13-5-4-9-19(12-13)25(23,24)14-6-7-15(16(11-14)20(21)22)17-8-10-18(2)3/h6-7,11,13,17H,4-5,8-10,12H2,1-3H3/t13-/m0/s1