N-[(S)-cyclopropyl(phenyl)methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(S)-cyclopropyl(phenyl)methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(S)-cyclopropyl(phenyl)methyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(S)-cyclopropyl(phenyl)methyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(S)-cyclopropyl(phenyl)methyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: [(S)-cyclopropyl(phenyl)methyl]-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(C3CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N[C@@H](C3CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c25-24(26)20-15-18(29(27,28)23-13-5-2-6-14-23)11-12-19(20)22-21(17-9-10-17)16-7-3-1-4-8-16/h1,3-4,7-8,11-12,15,17,21-22H,2,5-6,9-10,13-14H2/t21-/m1/s1