N-[cyclopropyl-(4-methylphenyl)methyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[cyclopropyl-(4-methylphenyl)methyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[cyclopropyl(p-tolyl)methyl]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[cyclopropyl-(4-methylphenyl)methyl]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[cyclopropyl-(4-methylphenyl)methyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: [cyclopropyl(p-tolyl)methyl]-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CC2)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2CC2)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H25N3O5S/c1-15-2-4-16(5-3-15)21(17-6-7-17)22-19-9-8-18(24(25)26)14-20(19)30(27,28)23-10-12-29-13-11-23/h2-5,8-9,14,17,21-22H,6-7,10-13H2,1H3