N-(3-methyl-2-morpholin-4-yl-butyl)-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-(3-methyl-2-morpholin-4-yl-butyl)-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-(3-methyl-2-morpholino-butyl)-4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[3-methyl-2-(4-morpholinyl)butyl]-4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(3-methyl-2-morpholin-4-ylbutyl)-4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: (3-methyl-2-morpholino-butyl)-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C21H34N4O5S MolecularWeight: 454.58346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C(C)C)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C(C)C)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H34N4O5S/c1-16(2)21(23-9-11-30-12-10-23)14-22-19-7-6-18(13-20(19)25(26)27)31(28,29)24-8-4-5-17(3)15-24/h6-7,13,16-17,21-22H,4-5,8-12,14-15H2,1-3H3