[2-[(4-bromophenyl)sulfonylmethyl]-4-(propan-2-ylamino)cyclohexyl]carbamic acid

Systemtic Name: [2-[(4-bromophenyl)sulfonylmethyl]-4-(propan-2-ylamino)cyclohexyl]carbamic acid Openeye Name: [2-[(4-bromophenyl)sulfonylmethyl]-4-(isopropylamino)cyclohexyl]carbamic acid CAS Name: [2-[(4-bromophenyl)sulfonylmethyl]-4-(propan-2-ylamino)cyclohexyl]carbamic acid IUPAC Name: [2-[(4-bromophenyl)sulfonylmethyl]-4-(propan-2-ylamino)cyclohexyl]carbamic acid Traditional Name: [2-(brosylmethyl)-4-(isopropylamino)cyclohexyl]carbamic acid Formula: C17H25BrN2O4S MolecularWeight: 433.3604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1CCC(C(C1)CS(=O)(=O)C2=CC=C(C=C2)Br)NC(=O)O

Isomeric SMILES

CC(C)NC1CCC(C(C1)CS(=O)(=O)C2=CC=C(C=C2)Br)NC(=O)O

InChI

InChI=1S/C17H25BrN2O4S/c1-11(2)19-14-5-8-16(20-17(21)22)12(9-14)10-25(23,24)15-6-3-13(18)4-7-15/h3-4,6-7,11-12,14,16,19-20H,5,8-10H2,1-2H3,(H,21,22)