N-methyl-2-morpholin-4-ylsulfonyl-4-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline

Systemtic Name: N-methyl-2-morpholin-4-ylsulfonyl-4-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline Openeye Name: N-[(4-isopropylphenyl)methyl]-N-methyl-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-methyl-2-(4-morpholinylsulfonyl)-4-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline IUPAC Name: N-methyl-2-morpholin-4-ylsulfonyl-4-nitro-N-[(4-propan-2-ylphenyl)methyl]aniline Traditional Name: (4-isopropylbenzyl)-methyl-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(C)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(C)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H27N3O5S/c1-16(2)18-6-4-17(5-7-18)15-22(3)20-9-8-19(24(25)26)14-21(20)30(27,28)23-10-12-29-13-11-23/h4-9,14,16H,10-13,15H2,1-3H3