N-[(3-chlorophenyl)methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(3-chlorophenyl)methyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(3-chlorophenyl)methyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(3-chlorophenyl)methyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: (3-chlorobenzyl)-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O4S/c19-15-6-4-5-14(11-15)13-20-17-8-7-16(12-18(17)22(23)24)27(25,26)21-9-2-1-3-10-21/h4-8,11-12,20H,1-3,9-10,13H2