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

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: 4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroaniline Traditional Name: benzyl-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c1-15-6-5-11-21(14-15)27(25,26)17-9-10-18(19(12-17)22(23)24)20-13-16-7-3-2-4-8-16/h2-4,7-10,12,15,20H,5-6,11,13-14H2,1H3/t15-/m0/s1