N-[(1R)-1-(2-chlorophenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(1R)-1-(2-chlorophenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[(1R)-1-(2-chlorophenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[(1R)-1-(2-chlorophenyl)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[(1R)-1-(2-chlorophenyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: [(1R)-1-(2-chlorophenyl)ethyl]-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1Cl)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O4S/c1-13(15-6-2-3-7-16(15)19)20-17-9-8-14(12-18(17)22(23)24)27(25,26)21-10-4-5-11-21/h2-3,6-9,12-13,20H,4-5,10-11H2,1H3/t13-/m1/s1