2-azanyl-N-butylsulfonyl-5-[(2-nitrophenyl)amino]benzenesulfonamide; (sulfinoamino)cyclopentane

Systemtic Name: 2-azanyl-N-butylsulfonyl-5-[(2-nitrophenyl)amino]benzenesulfonamide; (sulfinoamino)cyclopentane Openeye Name: 2-amino-N-butylsulfonyl-5-(2-nitroanilino)benzenesulfonamide; (sulfinoamino)cyclopentane CAS Name: 2-amino-N-butylsulfonyl-5-(2-nitroanilino)benzenesulfonamide; (sulfinoamino)cyclopentane IUPAC Name: 2-amino-N-butylsulfonyl-5-(2-nitroanilino)benzenesulfonamide; (sulfinoamino)cyclopentane Traditional Name: 2-amino-N-butylsulfonyl-5-(2-nitroanilino)benzenesulfonamide; (sulfinoamino)cyclopentane Formula: C21H31N5O8S3 MolecularWeight: 577.69454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NS(=O)(=O)C1=C(C=CC(=C1)NC2=CC=CC=C2[N+](=O)[O-])N.C1CCC(C1)NS(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NS(=O)(=O)C1=C(C=CC(=C1)NC2=CC=CC=C2[N+](=O)[O-])N.C1CCC(C1)NS(=O)O

InChI

InChI=1S/C16H20N4O6S2.C5H11NO2S/c1-2-3-10-27(23,24)19-28(25,26)16-11-12(8-9-13(16)17)18-14-6-4-5-7-15(14)20(21)22;7-9(8)6-5-3-1-2-4-5/h4-9,11,18-19H,2-3,10,17H2,1H3;5-6H,1-4H2,(H,7,8)