N-[(1S)-1-cyclopropylethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline

Systemtic Name: N-[(1S)-1-cyclopropylethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline Openeye Name: N-[(1S)-1-cyclopropylethyl]-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: N-[(1S)-1-cyclopropylethyl]-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroaniline IUPAC Name: N-[(1S)-1-cyclopropylethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroaniline Traditional Name: [(1S)-1-cyclopropylethyl]-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC(C)C3CC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N[C@@H](C)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O4S/c1-12-4-3-9-19(11-12)25(23,24)15-7-8-16(17(10-15)20(21)22)18-13(2)14-5-6-14/h7-8,10,12-14,18H,3-6,9,11H2,1-2H3/t12-,13-/m0/s1