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

Systemtic Name: 2-nitro-N-[(1R)-1-phenylethyl]-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: 2-nitro-N-[(1R)-1-phenylethyl]-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: 2-nitro-N-[(1R)-1-phenylethyl]-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: 2-nitro-N-[(1R)-1-phenylethyl]-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-[(1R)-1-phenylethyl]amine Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-14(15-7-3-2-4-8-15)19-17-10-9-16(13-18(17)21(22)23)26(24,25)20-11-5-6-12-20/h2-4,7-10,13-14,19H,5-6,11-12H2,1H3/t14-/m1/s1